SCHEMBL30835033

SCHEMBL30835033

c1ccc(COc2ccccc2-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 10/20 0.52
▸ PTGER4 P35408 5/20 0.49
▸ PTGER3 P43115 5/20 0.49
▸ PTGER2 P43116 5/20 0.49
▸ MAOB P27338 3/20 0.49
▸ GRM5 P41594 1/20 0.47
▸ BRD4 O60885 3/20 0.45
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PDE5A O76074 1/20 0.43
▸ MAOA P21397 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28600748 1.00 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL28609452 0.94 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL30835112 0.94 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL19831014 0.90 MAOB (0.54) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL30835097 0.85 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL28602502 0.85 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL19831018 0.85 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL30835130 0.85 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL30835100 0.84 CYP11B1 (0.50) PTGER1PTGER4PTGER3PTGER2GRM5
SCHEMBL19831080 0.81 MEN1 (0.46) PTGER1PTGER4PTGER3PTGER2GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 — — CN disclosed
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